Basic information
- CAS
353260-23-8- Standard SMILES
O=c1cc(CSCc2ccc(Cl)cc2Cl)[nH]c(=O)[nH]1- InChIKey
XBZLLARHMSUTAO-UHFFFAOYSA-N- Molecular formula
- C12H10Cl2N2O2S
- Average molar mass
- 317.2 g/mol
Names & identifiers
- Preferred name
- 6-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 6-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
- English name
- 6-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione
- Molecular formula
- C12H10Cl2N2O2S
- Molecular weight
- 317.191
Names & synonyms
6-{[(2,4-dichlorobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedioneAI-204/316970286-[(2,4-dichlorophenyl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
Database identifiers
- CAS
353260-23-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 403
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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